N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine

C15H17N5O2 — CID 756683

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C15H17N5O2/c1-21-11-4-3-10(7-12(11)22-2)5-6-16-14-13-15(18-8-17-13)20-9-19-14/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLIUUGIOJOWHONS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine (PubChem CID 756683) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine
PubChem CID756683
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C15H17N5O2/c1-21-11-4-3-10(7-12(11)22-2)5-6-16-14-13-15(18-8-17-13)20-9-19-14/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLIUUGIOJOWHONS-UHFFFAOYSA-N
XLogP2.02
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine (CID 756683) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine is COc1ccc(CCNc2ncnc3nc[nH]c23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine?
The InChIKey is LIUUGIOJOWHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-21-11-4-3-10(7-12(11)22-2)5-6-16-14-13-15(18-8-17-13)20-9-19-14/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine has a molecular weight of 299.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 756683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).